4-Ethynyl-1-methyl-1H-pyrazole - CAS 39806-89-8

Catalog:	BB024139
Product Name:	4-Ethynyl-1-methyl-1H-pyrazole
CAS:	39806-89-8
Synonyms:	4-ethynyl-1-methylpyrazole

Technical Data

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Computed Properties

IUPAC Name:	4-ethynyl-1-methylpyrazole
Description:	4-Ethynyl-1-methyl-1H-pyrazole (CAS# 39806-89-8) is a useful research chemical.
Molecular Weight:	106.13
Molecular Formula:	C6H6N2
Canonical SMILES:	CN1C=C(C=N1)C#C
InChI:	InChI=1S/C6H6N2/c1-3-6-4-7-8(2)5-6/h1,4-5H,2H3
InChI Key:	RACKOVAPLUVOJA-UHFFFAOYSA-N
Appearance:	Solid
LogP:	0.40140

Publication Number	Title	Priority Date
CN-113461753-A	2-alkynyl mannose derivative and application thereof	20200331
WO-2021197363-A1	2-alkynyl mannose derivative and application thereof	20200331
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
WO-2020121263-A1	Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same	20181214
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214

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Related Functional Groups

Pyrazoles

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(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	106.053098200
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	106.053098200
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5